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637322-34-0

637322-34-0 | 1H-Benzimidazole-1-propanamide,2-ethyl-(9CI)

CAS No: 637322-34-0 Catalog No: AG00EW7P MDL No:MFCD04332792

Product Description

Catalog Number:
AG00EW7P
Chemical Name:
1H-Benzimidazole-1-propanamide,2-ethyl-(9CI)
CAS Number:
637322-34-0
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD04332792
IUPAC Name:
3-(2-ethylbenzimidazol-1-yl)propanamide
InChI:
InChI=1S/C12H15N3O/c1-2-12-14-9-5-3-4-6-10(9)15(12)8-7-11(13)16/h3-6H,2,7-8H2,1H3,(H2,13,16)
InChI Key:
MQCJPZZICNPJLY-UHFFFAOYSA-N
SMILES:
CCc1nc2c(n1CCC(=O)N)cccc2

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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